2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione

C21H14N2O2 — CID 6909855

IUPAC2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)22-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H/b22-14+
InChIKeyROGJYQQYCMEEOI-HYARGMPZSA-N
MW326.36 g/mol
LogP3.98
Rot. Bonds3

About 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 6909855) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID6909855
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)22-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H/b22-14+
InChIKeyROGJYQQYCMEEOI-HYARGMPZSA-N
XLogP3.98
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
2-[(E)-(4-methylsulfanylphenyl)methylideneamino]isoindole-1,3-dione
CID 6897377
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione
CID 5337750
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5332496
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663
2-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 8973003
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
CID 5394460
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
CID 901062
2-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 5455823
2-(anthracen-9-ylmethylideneamino)isoindole-1,3-dione
CID 2305885

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione (CID 6909855) is 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is ROGJYQQYCMEEOI-HYARGMPZSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-20-18-8-4-5-9-19(18)21(25)23(20)22-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H/b22-14+.
What are the key properties of 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 326.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 6909855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).